1-butoxy-3-chloranyl-1-oxidanylidene-propane-2-sulfonic acid

Systemtic Name: 1-butoxy-3-chloranyl-1-oxidanylidene-propane-2-sulfonic acid Openeye Name: 1-butoxy-3-chloro-1-oxo-propane-2-sulfonic acid CAS Name: 1-butoxy-3-chloro-1-oxo-2-propanesulfonic acid IUPAC Name: 1-butoxy-3-chloro-1-oxopropane-2-sulfonic acid Traditional Name: 1-butoxy-3-chloro-1-keto-propane-2-sulfonic acid Formula: C7H13ClO5S MolecularWeight: 244.69312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCl)S(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C(CCl)S(=O)(=O)O

InChI

InChI=1S/C7H13ClO5S/c1-2-3-4-13-7(9)6(5-8)14(10,11)12/h6H,2-5H2,1H3,(H,10,11,12)